SitesBLAST
Comparing 7023012 Shewana3_0250 aldehyde dehydrogenase (RefSeq) to proteins with known functional sites using BLASTp with E ≤ 0.001.
Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures
Found 20 (the maximum) hits to proteins with known functional sites (download)
P37685 Aldehyde dehydrogenase B; Acetaldehyde dehydrogenase; EC 1.2.1.4 from Escherichia coli (strain K12) (see paper)
66% identity, 99% coverage: 5:506/506 of query aligns to 11:512/512 of P37685
- R197 (≠ E191) mutation to E: Less than 10% of wild-type acetaldehyde dehydrogenase activity.
4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 19:489/496 of 4fr8C
- active site: N165 (= N165), K188 (= K188), Q264 (≠ E262), C298 (= C301), E395 (= E402), E472 (= E479)
- binding nicotinamide-adenine-dinucleotide: I161 (= I161), I162 (= I162), W164 (= W164), K188 (= K188), G221 (= G220), G225 (= G224), A226 (≠ Q225), F239 (= F238), G241 (= G240), S242 (= S241), I245 (≠ V244), Q345 (= Q348), E395 (= E402), F397 (= F404)
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
42% identity, 95% coverage: 22:501/506 of query aligns to 7:482/489 of 4o6rA
- active site: N150 (= N165), K173 (= K188), E248 (= E262), C282 (= C301), E383 (= E402), E460 (= E479)
- binding adenosine monophosphate: I146 (= I161), V147 (≠ I162), K173 (= K188), G206 (= G220), G210 (= G224), Q211 (= Q225), F224 (= F238), G226 (= G240), S227 (= S241), T230 (≠ V244), R233 (≠ H247)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 5l13A
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F166), M168 (= M170), W171 (= W173), F290 (= F295), C295 (≠ V300), C296 (= C301), C297 (≠ T302), D451 (≠ H460), F453 (≠ Y462)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 4kwgA
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F166), M168 (= M170), C295 (≠ V300), C296 (= C301), C297 (≠ T302), D451 (≠ H460), F453 (≠ Y462)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 4kwfA
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F166), M168 (= M170), W171 (= W173), E262 (= E262), C295 (≠ V300), C296 (= C301), C297 (≠ T302), D451 (≠ H460), F453 (≠ Y462), F459 (= F468)
3sz9A Crystal structure of human aldh2 modified with the beta-elimination product of aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 3sz9A
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F166), C295 (≠ V300), C296 (= C301), D451 (≠ H460), F453 (≠ Y462), F459 (= F468)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 3injA
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ L120), F164 (= F166), L167 (= L169), F286 (≠ L292), F290 (= F295), D451 (≠ H460), F453 (≠ Y462)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 2vleA
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding daidzin: M118 (≠ L120), F164 (= F166), M168 (= M170), W171 (= W173), F286 (≠ L292), F290 (= F295), C295 (≠ V300), C296 (= C301), D451 (≠ H460), V452 (≠ A461), F453 (≠ Y462)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 1o01B
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding (2e)-but-2-enal: C296 (= C301), C297 (≠ T302), F453 (≠ Y462)
- binding nicotinamide-adenine-dinucleotide: I159 (= I161), I160 (= I162), P161 (= P163), W162 (= W164), K186 (= K188), E189 (= E191), G219 (= G220), G223 (= G224), A224 (≠ Q225), F237 (= F238), G239 (= G240), S240 (= S241), I243 (≠ V244), L263 (= L263), G264 (= G264), C296 (= C301), Q343 (= Q348), E393 (= E402), F395 (= F404)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 1cw3A
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding magnesium ion: V34 (≠ R39), D103 (≠ E105), Q190 (= Q192)
- binding nicotinamide-adenine-dinucleotide: I159 (= I161), I160 (= I162), P161 (= P163), W162 (= W164), K186 (= K188), G219 (= G220), G223 (= G224), A224 (≠ Q225), F237 (= F238), G239 (= G240), S240 (= S241), I243 (≠ V244), L263 (= L263), G264 (= G264), C296 (= C301), Q343 (= Q348), K346 (= K351), E393 (= E402), F395 (= F404)
4fr8A Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 16:486/493 of 4fr8A
- active site: N162 (= N165), K185 (= K188), Q261 (≠ E262), C295 (= C301), E392 (= E402), E469 (= E479)
- binding nicotinamide-adenine-dinucleotide: I158 (= I161), I159 (= I162), W161 (= W164), K185 (= K188), G218 (= G220), G222 (= G224), A223 (≠ Q225), F236 (= F238), G238 (= G240), S239 (= S241), I242 (≠ V244), Q342 (= Q348), K345 (= K351), E392 (= E402), F394 (= F404)
- binding propane-1,2,3-triyl trinitrate: F163 (= F166), L166 (= L169), W170 (= W173), F289 (= F295), S294 (≠ V300), C295 (= C301), D450 (≠ H460), F452 (≠ Y462)
P20000 Aldehyde dehydrogenase, mitochondrial; ALDH class 2; ALDH-E2; ALDHI; EC 1.2.1.3 from Bos taurus (Bovine) (see 2 papers)
43% identity, 94% coverage: 22:496/506 of query aligns to 43:513/520 of P20000
Sites not aligning to the query:
- 1:21 modified: transit peptide, Mitochondrion
2onmA Human mitochondrial aldehyde dehydrogenase asian variant, aldh2 2, Complexed with NAD+ (see paper)
44% identity, 92% coverage: 22:488/506 of query aligns to 17:479/494 of 2onmA
- active site: N163 (= N165), K186 (= K188), E262 (= E262), C296 (= C301), E393 (= E402), E470 (= E479)
- binding adenosine-5'-diphosphate: E189 (= E191), G219 (= G220), G223 (= G224), A224 (≠ Q225), F237 (= F238), G239 (= G240), S240 (= S241), I243 (≠ V244)
1nzwA Cys302ser mutant of human mitochondrial aldehyde dehydrogenase complexed with nadh and mg2+ (see paper)
43% identity, 94% coverage: 22:496/506 of query aligns to 17:487/494 of 1nzwA
- active site: N163 (= N165), K186 (= K188), E262 (= E262), S296 (≠ T302), E393 (= E402), E470 (= E479)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I161), I160 (= I162), P161 (= P163), K186 (= K188), E189 (= E191), G219 (= G220), P220 (≠ A221), G223 (= G224), A224 (≠ Q225), F237 (= F238), G239 (= G240), S240 (= S241), I243 (≠ V244), E262 (= E262), G264 (= G264), S296 (≠ T302), Q343 (= Q348), E393 (= E402), F395 (= F404)
7radA Crystal structure analysis of aldh1b1
42% identity, 94% coverage: 22:497/506 of query aligns to 16:487/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I161), I159 (= I162), P160 (= P163), W161 (= W164), N162 (= N165), M167 (= M170), K185 (= K188), E188 (= E191), G218 (= G220), G222 (= G224), A223 (≠ Q225), T237 (= T239), G238 (= G240), S239 (= S241), V242 (= V244), E261 (= E262), L262 (= L263), C295 (= C301), E392 (= E402), F394 (= F404)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ A116), E117 (≠ L120), F163 (= F166), E285 (≠ K285), F289 (= F295), N450 (≠ H460), V452 (≠ Y462)
7mjdA Crystal structure analysis of aldh1b1
42% identity, 94% coverage: 22:497/506 of query aligns to 16:487/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (= I161), I159 (= I162), P160 (= P163), W161 (= W164), N162 (= N165), M167 (= M170), K185 (= K188), E188 (= E191), G218 (= G220), G222 (= G224), F236 (= F238), T237 (= T239), G238 (= G240), S239 (= S241), V242 (= V244), E261 (= E262), L262 (= L263), C295 (= C301), E392 (= E402), F394 (= F404)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ L120), E285 (≠ K285), F289 (= F295), N450 (≠ H460), V452 (≠ Y462)
7mjcA Crystal structure analysis of aldh1b1
42% identity, 94% coverage: 22:497/506 of query aligns to 16:487/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (= I161), I159 (= I162), P160 (= P163), W161 (= W164), N162 (= N165), K185 (= K188), E188 (= E191), G218 (= G220), G222 (= G224), T237 (= T239), G238 (= G240), S239 (= S241), V242 (= V244), E261 (= E262), L262 (= L263), C295 (= C301), E392 (= E402), F394 (= F404)
O94788 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) (see 6 papers)
42% identity, 95% coverage: 14:496/506 of query aligns to 32:511/518 of O94788
- E50 (≠ V31) to G: in dbSNP:rs34266719
- A110 (= A88) to V: in dbSNP:rs35365164
- Q182 (= Q160) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (= IPW 162:164) binding
- KPAE 210:213 (= KPAE 188:191) binding
- STE 264:266 (= STE 241:243) binding
- C320 (= C301) active site, Nucleophile
- R347 (≠ I328) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ K329) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ EQFDK 347:351) binding
- A383 (= A364) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E402) binding
- E436 (≠ A421) to K: in dbSNP:rs34744827
- S461 (≠ G446) to Y: in DIH4; decreased retinoic acid biosynthetic process
6b5hA Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) (see paper)
42% identity, 95% coverage: 14:496/506 of query aligns to 6:485/492 of 6b5hA
- active site: N161 (= N165), E260 (= E262), C294 (= C301), E468 (= E479)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ A116), G116 (≠ L120), F162 (= F166), W169 (= W173), Q284 (≠ E288), F288 (= F295), T295 (= T302), N449 (≠ H460), L451 (≠ Y462), N452 (≠ P463), F457 (= F468)
- binding nicotinamide-adenine-dinucleotide: I157 (= I161), I158 (= I162), W160 (= W164), N161 (= N165), K184 (= K188), G217 (= G220), G221 (= G224), F235 (= F238), T236 (= T239), G237 (= G240), S238 (= S241), V241 (= V244), E260 (= E262), L261 (= L263), C294 (= C301), F393 (= F404)
Query Sequence
>7023012 Shewana3_0250 aldehyde dehydrogenase (RefSeq)
MIYAQPGTAGAIVNFKEKYANFIGGKWVAPVNGDYFENRSPVNGQNFCKIPRSDYRDIEL
ALDAAHAAKDAWGKTSVTERANLLLRIADRVEQNLEYLAVAETWENGKAVRETLNADLPL
FVDHFRYFAGCIRAQEGSAADIDGNTVSYHFPEPLGVVGQIIPWNFPLLMAAWKIAPALA
AGNCVVLKPAEQTPVSILVLLELIEDLLPPGILNVVNGFGAEAGQALATSKRIAKLAFTG
STEVGYHILKCAAESLIPSTVELGGKSPNLYFADVMDHEDEYLDKAVEGMLLAFFNQGEV
CTCPSRVLIQESIYDRFIEKVLARAQTIKQGNPLDTATQVGAQASQEQFDKILSYLAIGK
DEGAQVLLGGSLCQLEGDQSKGYYISPTIMKGHNKMRIFQEEIFGPVISVTTFKDEAEAL
AIANDTEYGLGAGVWTRDMNRAQRLGRGIQAGRVWINCYHAYPAHAAFGGYKKSGIGRET
HKMMLNHYQNTKNLLVSYDINPLGFF
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SitesBLAST's Database
SitesBLAST's database includes
(1) SwissProt
entries with experimentally-supported functional features;
and (2) protein structures with bound ligands, from the
BioLip database.
by Morgan Price,
Arkin group
Lawrence Berkeley National Laboratory